SCHEMBL10066145

SCHEMBL10066145

C=CCCC1CCC(C2CCC3CC(CCc4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CCC3C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17154214 0.91 HTR2A (0.30)
SCHEMBL22277293 0.91 HTR2A (0.30)
SCHEMBL9925117 0.88 SCN9A (0.32)
SCHEMBL9925149 0.88 HTR2A (0.31)
SCHEMBL9924871 0.86 SCN9A (0.32)
SCHEMBL12024167 0.85 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12024225 0.85 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12023836 0.85 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL12023737 0.85 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL9925124 0.85 CTSL (0.34) CTSLCTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468707-A1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC Corporation (JP) 2012-06-27 EP disclosed